Vitas-M small molecule compound
2-(1H-benzimidazol-2-ylsulfanyl)-1-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)ethanone
Catalog ID
STK066178
SMILES COc1ccc2c(c1)C(C)CC(N2C(=O)CSc1nc2c([nH]1)cccc2)(C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H25N3O2S MW 395.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O2S/c1-14-12-22(2,3)25(19-10-9-15(27-4)11-16(14)19)20(26)13-28-21-23-17-7-5-6-8-18(17)24-21/h5-11,14H,12-13H2,1-4H3,(H,23,24)InChIKey
URMMRJMFXLKFQI-UHFFFAOYSA-NSynonyms
2(1HBENZIMIDAZOL2YLSULFANYL)1((4R)6METHOXY224TRIMETHYL34DIHYDROQUINOLIN1(2H)YL)ETHANONE
2(1HBENZIMIDAZOL2YLSULFANYL)1((4S)6METHOXY224TRIMETHYL34DIHYDROQUINOLIN1(2H)YL)ETHANONE
2(1HBENZIMIDAZOL2YLSULFANYL)1(6METHOXY224TRIMETHYL34DIHYDROQUINOLIN1(2H)YL)ETHANONE
2(1HBENZIMIDAZOL2YLSULFANYL)1(6METHOXY224TRIMETHYL34DIHYDROQUINOLIN1YL)ETHANONE
CC1CC(N(C2=C1C=C(C=C2)OC)C(=O)CSC3=NC4=CC=CC=C4N3)(C)C
COc1ccc2c(c1)C(C)CC(N2C(=O)CSc1nc2c((nH)1)cccc2)(C)C
InChI=1SC22H25N3O2Sc1141222(23)25(1910915(274)1116(14)19)20(26)1328212317756818(17)2421h51114H1213H214H3(H2324)
MFCD03176180
STK066178
ZINC000001153912
ZINC000001153913
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